EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:158002 - Ala-Asn-Lys

ChEBI IDCHEBI:158002
ChEBI NameAla-Asn-Lys
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H25N5O5
Net Charge0
Average Mass331.373
Monoisotopic Mass331.18557
SMILESC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C13H25N5O5/c1-7(15)11(20)18-9(6-10(16)19)12(21)17-8(13(22)23)4-2-3-5-14/h7-9H,2-6,14-15H2,1H3,(H2,16,19)(H,17,21)(H,18,20)(H,22,23)/t7-,8-,9-/m0/s1
InChIKeyXQGIRPGAVLFKBJ-CIUDSAMLSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Ala-Asn-Lys (CHEBI:158002) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoyl]amino]hexanoic acid
Manual XrefsDatabases
16568463ChemSpider